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Information card for entry 1561213
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1561213.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H54 Cu F4 N12 O10 |
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Calculated formula | C50 H54 Cu F4 N12 O10 |
SMILES | [Cu]1([n]2cn(Cc3cccc(Cn4cncc4)c3)cc2)([n]2cn(cc2)Cc2cccc(c2)Cn2c[n](cc2)[Cu]([OH2])([OH2])[n]2cn(cc2)Cc2cccc(c2)Cn2c[n]1cc2)([OH2])([OH2])[n]1cn(Cc2cccc(Cn3cncc3)c2)cc1.n1cn(Cc2cccc(Cn3cncc3)c2)cc1.n1cn(Cc2cccc(Cn3cncc3)c2)cc1.c1(F)c(F)c(C(=O)[O-])c(F)c(F)c1C(=O)[O-].c1(F)c(F)c(C(=O)[O-])c(F)c(F)c1C(=O)[O-].O.O.O.O.O.O.O.O |
Title of publication | Cu(II) coordination polymers constructed by tetrafluoroterephthalic acid and varied imidazole-containing ligands: Syntheses, structures and properties |
Authors of publication | Liu, Kang; Sun, Yayong; Deng, Liming; Cao, Fan; Han, Jishu; Wang, Lei |
Journal of publication | Journal of Solid State Chemistry |
Year of publication | 2018 |
Journal volume | 258 |
Pages of publication | 24 - 31 |
a | 10.005 ± 0.0008 Å |
b | 11.372 ± 0.0007 Å |
c | 12.5756 ± 0.0005 Å |
α | 69.022 ± 0.005° |
β | 74.409 ± 0.005° |
γ | 77.635 ± 0.006° |
Cell volume | 1275.71 ± 0.15 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0536 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.0889 |
Weighted residual factors for all reflections included in the refinement | 0.097 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1561213.html
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